| SpectraBase Compound ID | A3YBLqjHQlW |
|---|---|
| InChI | InChI=1S/C18H11F3O2/c19-18(20,21)14-10-8-13(9-11-14)17(22)23-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H |
| InChIKey | WKFGJLMXHAHWEG-UHFFFAOYSA-N |
| Mol Weight | 316.28 g/mol |
| Molecular Formula | C18H11F3O2 |
| Exact Mass | 316.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Y2rYSZHvMn |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 1-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.071114081 u |
| Formula | C18H11F3O2 |
| InChI | InChI=1S/C18H11F3O2/c19-18(20,21)14-10-8-13(9-11-14)17(22)23-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H |
| InChIKey | WKFGJLMXHAHWEG-UHFFFAOYSA-N |
| Molecular Weight | 316.279 g/mol |
| SMILES | C1=CC=CC2=C1C(=CC=C2)OC(=O)C=1C=CC(C(F)(F)F)=CC1 |